#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9004671.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_9004671 _chemical_name 'K2[(UO2)(MoO4)2](H2O)' loop_ _publ_author_name 'Krivovichev S V' 'Finch R J' 'Burns P C' _journal_name_full "The Canadian Mineralogist" _journal_volume 40 _journal_year 2002 _journal_page_first 193 _journal_page_last 200 _publ_section_title ; Crystal chemistry of uranyl molybdates. V. Topologically distinct uranyl dimolybdate sheets in the structures of Na2[(UO2)(MoO4)2] and K2[(UO2)(MoO4)2](H2O) ; _chemical_formula_sum 'U Mo2 K2 O11 H2' _cell_length_a 7.893 _cell_length_b 10.907 _cell_length_c 13.558 _cell_angle_alpha 90 _cell_angle_beta 98.70 _cell_angle_gamma 90 _cell_volume 1153.764 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv U 0.47673 0.74106 0.14526 0.01980 Mo(1) 0.51110 0.60157 -0.09570 0.02210 Mo(2) 0.76060 0.95588 -0.14068 0.02170 K(1) 0.24200 0.91610 -0.12760 0.09100 K(2) 0.93630 0.66790 0.09460 0.10000 O(1) 0.42340 0.44880 -0.08340 0.02200 O(2) 0.42900 0.72350 -0.03030 0.03500 O(3) 0.28000 0.66790 0.15610 0.03600 O(4) 0.67100 0.08290 -0.08270 0.03300 O(5) 0.67500 0.81480 0.13920 0.03500 O(6) 0.43200 0.63360 -0.22140 0.03400 O(7) 0.86800 0.87090 -0.04420 0.03700 O(8) 0.59800 0.86280 -0.21180 0.03500 O(9) 0.73100 0.60290 -0.08530 0.03300 O(10) 0.91000 0.99940 -0.21500 0.04700 Wat11 0.97900 0.20900 -0.31100 0.08400